Cas no 186029-18-5 (Benzonitrile,2-(dodecyloxy)-)

Benzonitrile,2-(dodecyloxy)- structure
Benzonitrile,2-(dodecyloxy)- structure
Product Name:Benzonitrile,2-(dodecyloxy)-
CAS No:186029-18-5
MF:C19H29NO
MW:287.439665555954
CID:114718
PubChem ID:4694748
Update Time:2025-04-18

Benzonitrile,2-(dodecyloxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,2-(dodecyloxy)-
    • 2-dodecoxybenzonitrile
    • 2-Cyanophenyl dodecyl ether
    • o-Cyanophenyl dodecyl ether
    • 2-(DODECYLOXY)BENZONITRILE
    • 186029-18-5
    • AKOS012822229
    • SCHEMBL15541094
    • E79405
    • J-011941
    • 2-(Dodecyloxy)benzonitrile, Selectophore(TM), >=97.0%
    • DTXSID10405643
    • starbld0003465
    • Inchi: 1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-21-19-15-12-11-14-18(19)17-20/h11-12,14-15H,2-10,13,16H2,1H3
    • InChI Key: DDUJCCRSCBUHMI-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1C#N)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 287.22500
  • Monoisotopic Mass: 287.224914549g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 12
  • Complexity: 281
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.2
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 0.938?g/mL?at 20?°C(lit.)
  • Boiling Point: 412.2°C at 760 mmHg
  • Flash Point: 173°C
  • Refractive Index: n20/D 1.498
  • PSA: 33.02000
  • LogP: 5.85798

Benzonitrile,2-(dodecyloxy)- Security Information

  • WGK Germany:3
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26
  • FLUKA BRAND F CODES:10
  • Hazardous Material Identification: Xn
  • Risk Phrases:R20/21/22; R36/37/38

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